N-[(6-chloropyridin-3-yl)methyl]-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
Chemical Structure Depiction of
N-[(6-chloropyridin-3-yl)methyl]-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
N-[(6-chloropyridin-3-yl)methyl]-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
Compound characteristics
| Compound ID: | 4872-0543 |
| Compound Name: | N-[(6-chloropyridin-3-yl)methyl]-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide |
| Molecular Weight: | 390.74 |
| Molecular Formula: | C15 H11 Cl N6 O5 |
| Smiles: | C(c1ccc(nc1)[Cl])NC(\C(=C1/Nc2ccc(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8186 |
| logD: | 1.3631 |
| logSw: | -2.6549 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.915 |
| InChI Key: | WZRNIXQNWGHCKS-UHFFFAOYSA-N |